SCHEMBL7079337

SCHEMBL7079337

O=S1(=O)N=C(NCCCCc2ccccc2)Nc2cc(Cl)sc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
MMP3 P08254 1/20 0.35
ASPH Q12797 2/20 0.35
KDM8 Q8N371 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RIOX2 Q8IUF8 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6802723 0.82 ABCC8 (0.41) GPR84ABCC8KCNJ11MMP3MEN1
SCHEMBL7074970 0.82 ABCC8 (0.41) GPR84ABCC8KCNJ11MMP3MEN1
SCHEMBL7957832 0.79 TAAR1 (0.55) TYMPGPR84ABCC8KCNJ11KDM4E
SCHEMBL7077604 0.79 ABCC8 (0.44) ABCC8KCNJ11
SCHEMBL7077490 0.79 ADRA2A (0.36) ABCC8KCNJ11
SCHEMBL24050527 0.76 TAAR1 (0.49) TYMPGPR84ABCC8KCNJ11KDM4E
SCHEMBL7067708 0.76 TYMP (0.40) TYMPGPR84MMP3ASPHKDM8
SCHEMBL24050513 0.76 TAAR1 (0.56) TYMPABCC8KCNJ11KDM4ETAAR1
SCHEMBL24050732 0.74 TAAR1 (0.51) TYMPTAAR1SIGMAR1ALDH1A1MEN1
SCHEMBL27491762 0.74 ABCC8 (0.43) ABCC8KCNJ11KDM4ETAAR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1158290-C Fused 1,2,4-thiadiazine and fused 1,4-thiazine derivatives, their preparation and use ŵ��Ų�ڿ˹�˾ 2004-07-21 CN claimed
US-20030235583-A1 Combined use of a modulator of CD3 and a beta cell resting compound NOVO NORDISK A/S (DK) 2003-12-25 US claimed
US-20030125323-A1 Use of selective potassium channel openers NOVO NORDISK A/S (DK) 2003-07-03 US claimed
US-20030109519-A1 Use of selective potassium channel openers NOVO NORDISK (DK) 2003-06-12 US claimed
US-20020035106-A1 Use of potassium channel agonists for reducing fat food consumption NOVO NORDISK A/S (DK) 2002-03-21 US claimed
US-20020028808-A1 Use of potassium channel agonists for the treatment of cancer NOVO NORDISK A/S (DK) 2002-03-07 US claimed
CN-1208417-A Fused 1,2,4-thiadiazine and fused 1,4-thiazine derivatives, their preparation and use NOVO NORDISK AS (DK) 1999-02-17 CN claimed
US-20030235583-A1 Combined use of a modulator of CD3 and a beta cell resting compound NOVO NORDISK A/S (DK) 2003-12-25 US disclosed
US-20030125323-A1 Use of selective potassium channel openers NOVO NORDISK A/S (DK) 2003-07-03 US disclosed
US-20030109519-A1 Use of selective potassium channel openers NOVO NORDISK (DK) 2003-06-12 US disclosed
US-20020035106-A1 Use of potassium channel agonists for reducing fat food consumption NOVO NORDISK A/S (DK) 2002-03-21 US disclosed
US-20020028808-A1 Use of potassium channel agonists for the treatment of cancer NOVO NORDISK A/S (DK) 2002-03-07 US disclosed
US-5889002-A CENTRAL NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; ENDOCRINAL DISEASES NOVO NORDISK A/S (DK) 1999-03-30 US disclosed
CN-1208417-A Fused 1,2,4-thiadiazine and fused 1,4-thiazine derivatives, their preparation and use NOVO NORDISK AS (DK) 1999-02-17 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030125323-A1 Use of selective potassium channel openers KCNJ11, KCNJ1, KCNJ2 TYMP 3917/4885GPR84 1053/4885ABCC8 73/4885
US-20030109519-A1 Use of selective potassium channel openers KCNJ11, KCNJ2, KCNJ1 TYMP 3925/4885GPR84 1071/4885ABCC8 63/4885
US-20020028808-A1 Use of potassium channel agonists for the treatment of cancer KCNN3, KCNN1, KCNN2 TYMP 4073/4885GPR84 233/4885ABCC8 944/4885
US-20030235583-A1 Combined use of a modulator of CD3 and a beta cell resting compound CD69, IAPP, CD4 TYMP 1303/4885GPR84 219/4885ABCC8 3372/4885
US-20020035106-A1 Use of potassium channel agonists for reducing fat food consumption KCNN3, KCNN2, KCNN1 TYMP 4790/4885GPR84 315/4885ABCC8 985/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.